cobalt;4,5-dihydro-1,3-oxazole;pyridine-2-carboxamide

C9H11CoN3O2 — CID 174947203

IUPACcobalt;4,5-dihydro-1,3-oxazole;pyridine-2-carboxamide
SMILESC1=NCCO1.NC(=O)c1ccccn1.[Co]
InChIInChI=1S/C6H6N2O.C3H5NO.Co/c7-6(9)5-3-1-2-4-8-5;1-2-5-3-4-1;/h1-4H,(H2,7,9);3H,1-2H2;
InChIKeyFMMNPJJKDRKROP-UHFFFAOYSA-N
MW252.14 g/mol
LogP0.22
Rot. Bonds1

About cobalt;4,5-dihydro-1,3-oxazole;pyridine-2-carboxamide

cobalt;4,5-dihydro-1,3-oxazole;pyridine-2-carboxamide (PubChem CID 174947203) has the molecular formula C9H11CoN3O2 and a molecular weight of 252.14 g/mol. Its IUPAC name is cobalt;4,5-dihydro-1,3-oxazole;pyridine-2-carboxamide.

Molecular Properties

Compound Namecobalt;4,5-dihydro-1,3-oxazole;pyridine-2-carboxamide
PubChem CID174947203
Molecular FormulaC9H11CoN3O2
Molecular Weight252.14 g/mol
Exact Mass252.02
IUPAC Namecobalt;4,5-dihydro-1,3-oxazole;pyridine-2-carboxamide
SMILESC1=NCCO1.NC(=O)c1ccccn1.[Co]
InChIInChI=1S/C6H6N2O.C3H5NO.Co/c7-6(9)5-3-1-2-4-8-5;1-2-5-3-4-1;/h1-4H,(H2,7,9);3H,1-2H2;
InChIKeyFMMNPJJKDRKROP-UHFFFAOYSA-N
XLogP0.22
TPSA77.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cobalt;4,5-dihydro-1,3-oxazole;pyridine-2-carboxamide?
The IUPAC name of cobalt;4,5-dihydro-1,3-oxazole;pyridine-2-carboxamide (CID 174947203) is cobalt;4,5-dihydro-1,3-oxazole;pyridine-2-carboxamide.
What is the SMILES notation for cobalt;4,5-dihydro-1,3-oxazole;pyridine-2-carboxamide?
The canonical SMILES for cobalt;4,5-dihydro-1,3-oxazole;pyridine-2-carboxamide is C1=NCCO1.NC(=O)c1ccccn1.[Co].
What is the InChIKey of cobalt;4,5-dihydro-1,3-oxazole;pyridine-2-carboxamide?
The InChIKey is FMMNPJJKDRKROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O.C3H5NO.Co/c7-6(9)5-3-1-2-4-8-5;1-2-5-3-4-1;/h1-4H,(H2,7,9);3H,1-2H2;.
What are the key properties of cobalt;4,5-dihydro-1,3-oxazole;pyridine-2-carboxamide?
cobalt;4,5-dihydro-1,3-oxazole;pyridine-2-carboxamide has a molecular weight of 252.14 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;4,5-dihydro-1,3-oxazole;pyridine-2-carboxamide is sourced from PubChem (CID 174947203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).